7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 398196
• Molecular Formular: C13H24N2
• Molecular Mass: 208.34306
• Monoisotopic Mass: 208.19394878
• SMILES: N1(CC2(CNCC2)CCC1)CC1CCC1
• Canonical SMILES: C1CC(C1)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C13H24N2/c1-3-12(4-1)9-15-8-2-5-13(11-15)6-7-14-10-13/h12,14H,1-11H2
• InChIKey: RJXJTEJXCKHOPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8314033
• LogD (pH = 7.4): -3.1249857
• Log P: 1.5800498
• Molar Refractivity: 64.018 cm^3
• Polarizability: 25.564276 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.14
• LOG S: -1.54
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2